SCHEMBL2925545

SCHEMBL2925545

CC(C[C@H]1Cc2ccc(Br)cc2C1)S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.41
ADRA2A P08913 3/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HIF1A Q16665 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5306031 1.00 PNMT (0.41) PNMTADRA2AADRA2BADRA2CDPP8
SCHEMBL27857521 0.81 TBXA2R (0.36) CA1CA2CA12CA7CA14
SCHEMBL5197658 0.75 CA1 (0.40) CA1CA2CA12CA7CA14
SCHEMBL22230515 0.71 MAPT (0.41) DPP8DPP9
SCHEMBL8217425 0.71 PNMT (0.59) PNMTADRA2AADRA2BADRA2CMETAP1
SCHEMBL24214091 0.71 PNMT (0.59) PNMTADRA2AADRA2BADRA2CMETAP1
SCHEMBL8160858 0.69 PNMT (0.39) PNMTADRA2AADRA2BADRA2CMETAP1
SCHEMBL585486 0.68 GRIA2 (0.59) CYP1A2
SCHEMBL585485 0.68 GRIA2 (0.59) CYP1A2
SCHEMBL960432 0.68 GRIA2 (0.59) CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222632-A1 COMPOUNDS WHICH POTENTIATE THE AMPA RECEPTOR AND USES THEREOF IN MEDICINE Glaxo Group Limited (GB) 2010-09-01 EP disclosed
WO-2009080637-A1 COMPOUNDS WHICH POTENTIATE THE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed